4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

C16H26N2O5S — CID 55685376

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOCCOC)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-13(2)18-24(20,21)15-7-5-14(6-8-15)16(19)17-9-10-23-12-11-22-3/h5-8,13,18H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyNVQNAEKVSXOKLX-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.16
Rot. Bonds11

About 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (PubChem CID 55685376) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
PubChem CID55685376
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOCCOC)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-13(2)18-24(20,21)15-7-5-14(6-8-15)16(19)17-9-10-23-12-11-22-3/h5-8,13,18H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyNVQNAEKVSXOKLX-UHFFFAOYSA-N
XLogP1.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (CID 55685376) is 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCOCCOC)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The InChIKey is NVQNAEKVSXOKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-13(2)18-24(20,21)15-7-5-14(6-8-15)16(19)17-9-10-23-12-11-22-3/h5-8,13,18H,4,9-12H2,1-3H3,(H,17,19).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 1.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is sourced from PubChem (CID 55685376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).